SCHEMBL29680698

SCHEMBL29680698

CN(C)CCCN=Cc1ccc(-n2ccc3c(-c4ccccc4)nc(Cl)nc32)cc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 4/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
PSMD14 O00487 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24528715 1.00 KDM4E (0.38) KDM4EALDH1A1LMNAMAPTATM
SCHEMBL24528583 0.96 KDM4E (0.38) KDM4EALDH1A1LMNAATMMEN1
SCHEMBL29680660 0.96 KDM4E (0.38) KDM4EALDH1A1LMNAATMMEN1
SCHEMBL29681045 0.90 KDM4E (0.37) KDM4EALDH1A1LMNAMAPTATM
SCHEMBL24528596 0.90 KDM4E (0.37) KDM4EALDH1A1LMNAMAPTATM
SCHEMBL24528655 0.86 KDM4E (0.34) KDM4EALDH1A1LMNAATM
SCHEMBL29680746 0.86 KDM4E (0.37) KDM4EALDH1A1LMNAATMMEN1
SCHEMBL24528512 0.86 KDM4E (0.37) KDM4EALDH1A1LMNAATMMEN1
SCHEMBL24528599 0.85 KDM4E (0.33) KDM4EALDH1A1LMNAATM
SCHEMBL24528636 0.85 NUDT1 (0.41) KDM4EALDH1A1LMNAATMMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4263539-A1 6-6 OR 5-6 FUSED BICYCLIC COMPOUNDS COMPRISING A PYRI(MI)DINE RING USEFUL IN THE TREATMENT OF INFECTIOUS DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE - INSERM (FR) 2023-10-25 EP disclosed
WO-2022129376-A1 6-6 OR 5-6 FUSED BICYCLIC COMPOUNDS COMPRISING A PYRI(MI)DINE RING USEFUL IN THE|TREATMENT OF INFECTIOUS DISEASES INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2022-06-23 WO disclosed